![CAS 1385826-87-8 9-[4′-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)[1,1′-BIPHENYL]-3-YL]-9H-CARBAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1385826-87-8.gif)
CAS RN: 1385826-87-8
9-[4′-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)[1,1′-BIPHENYL]-3-YL]-9H-CARBAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260123 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1385826-87-8
- Purity/Analytical Methods: >99.0%
1385826-87-8 / 9-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole
Basic Information
CAS
1385826-87-8
Multi CAS
No
Molecular Formula
C30H28BNO2
Molecular Weight
445.400000
Exact Mass
445.221309
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C30H28BNO2/c1-29(2)30(3,4)34-31(33-29)23-18-16-21(17-19-23)22-10-9-11-24(20-22)32-27-14-7-5-12-25(27)26-13-6-8-15-28(26)32/h5-20H,1-4H3
InChIKey
QWTMGQHNQOPQHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
25
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
141.93
TPSA
23.39
LogP / Solubility
WLOGP
6.75
MLOGP
5.97
XLogP3
6.75
Consensus LogP
6.49
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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